CID 62727520

3-(bromomethyl)-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1C(COC2=CC=CC=C21)CBr
InChI
InChI=1S/C10H11BrO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8H,5-7H2
InChIKey
WEIMSLNSKYVNAV-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99933 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 138.7
[M+Na]+ 248.98855 143.2
[M+NH4]+ 244.03315 145.3
[M+K]+ 264.96249 142.0
[M-H]- 224.99205 141.8
[M+Na-2H]- 246.97400 142.5
[M]+ 225.99878 139.2
[M]- 225.99988 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.